2B42
Crystal structure of the Triticum xylanse inhibitor-I in complex with bacillus subtilis xylanase
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-1 |
Synchrotron site | ESRF |
Beamline | ID14-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2002-11-04 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.934 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 107.890, 95.340, 69.310 |
Unit cell angles | 90.00, 122.24, 90.00 |
Refinement procedure
Resolution | 29.360 - 2.500 |
R-factor | 0.18814 |
Rwork | 0.183 |
R-free | 0.23977 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.013 |
RMSD bond angle | 1.425 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | CNS |
Refinement software | REFMAC (5.1.24) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 29.360 | 2.640 |
High resolution limit [Å] | 2.500 | 2.500 |
Number of reflections | 18166 | |
Completeness [%] | 88.1 | 98 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 277 | 0.22 M ammonium sulphate, 0.1 M sodium acetate buffer, 25 % (w/v) polyethylene glycol 4000, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 277K |